Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8860080 | 1.00 | ALDH1A1 (0.51) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| Acetic Acid SCHEMBL8555254 | 0.81 | ALDH1A1 (0.55) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| Acetic Acid SCHEMBL8860077 | 0.81 | ALDH1A1 (0.55) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| SCHEMBL8473232 | 0.79 | TDP1 (0.51) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| SCHEMBL9089272 | 0.79 | TDP1 (0.51) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| SCHEMBL17916042 | 0.79 | ALDH1A1 (0.57) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| SCHEMBL8554995 | 0.77 | ALDH1A1 (0.56) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| SCHEMBL8554996 | 0.77 | ALDH1A1 (0.56) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| SCHEMBL8474009 | 0.73 | TDP1 (0.54) | ALDH1A1POLBL3MBTL1GAAKMT2A | |
| SCHEMBL8475112 | 0.73 | TDP1 (0.54) | ALDH1A1POLBL3MBTL1GAAKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5698698-A | Process for preparation of N-tert.butyl-decahydro-2- 2(R)-hydroxy-4-phenyl-3(S)-phthalimidobutyl!-(4aS,8aS)-isoquinoline-3(S)-carboxamide | HOFFMANN-LA ROCHE INC. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5641886-A | Process for preparation of N-tert.butyl-decahydro-2-[2(R)-hydroxy-4-phenyl-3(S)-phthalimidobutyl]-(4AS,8AS)-isoquinoline-3(S)-carboxamide | HOFFMANN-LA ROCHE INC. (US) | 1997-06-24 | — | — | US | disclosed |
| US-5502210-A | 1H-isoindole-1,3-dione compounds | HOFFMANN-LA ROCHE INC. (US) | 1996-03-26 | — | — | US | disclosed |